CID 5272344

Benzamide, n-[2-[[4-(2-amino-4-thiazolyl)phenyl]amino]-2-oxoethyl]-n-(cyclohexylmethyl)-

Structural Information

Molecular Formula
C25H28N4O2S
SMILES
C1CCC(CC1)CN(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C25H28N4O2S/c26-25-28-22(17-32-25)19-11-13-21(14-12-19)27-23(30)16-29(15-18-7-3-1-4-8-18)24(31)20-9-5-2-6-10-20/h2,5-6,9-14,17-18H,1,3-4,7-8,15-16H2,(H2,26,28)(H,27,30)
InChIKey
XNCUTJXTHOUCRI-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(cyclohexylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.1933 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.20058 205.2
[M+Na]+ 471.18252 205.9
[M-H]- 447.18602 215.8
[M+NH4]+ 466.22712 213.1
[M+K]+ 487.15646 200.7
[M+H-H2O]+ 431.19056 194.4
[M+HCOO]- 493.19150 220.5
[M+CH3COO]- 507.20715 211.8
[M+Na-2H]- 469.16797 202.4
[M]+ 448.19275 201.6
[M]- 448.19385 201.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.